Issue 51, 2015

Molecular dynamics simulation of heterogeneous nucleation on nanotubes

Abstract

Vapour-to-liquid nucleation of argon on silicon nanotubes is studied by means of classical molecular dynamics. The aim of this simulation study is primarily to address the question of whether condensation is faster on the inner surface or on the outer surface of the nanotube. A constant particle number, volume and temperature ensemble was used for the molecular dynamics simulation with the system having different supersaturation ratios, tube lengths, and pore sizes. For a larger pore, the growth rate of droplets was higher on the inner surface, whereas for a smaller pore, a crossover occurred depending on the supersaturation ratio. Pore plugging was strongly affected by the tube diameter, where initial clogging was critical in expediting the filling process inside the tube. Furthermore, in order to examine how the pore existence affects the surrounding vapour, lids on both ends of the tube were placed. In terms of growth, the open-ended tube was typically the slowest, whereas the fully filled cylinder generally gave rise to the highest growth rate.

Graphical abstract: Molecular dynamics simulation of heterogeneous nucleation on nanotubes

Supplementary files

Article information

Article type
Paper
Submitted
12 Mar 2015
Accepted
28 Apr 2015
First published
29 Apr 2015
This article is Open Access
Creative Commons BY license

RSC Adv., 2015,5, 40953-40963

Author version available

Molecular dynamics simulation of heterogeneous nucleation on nanotubes

D. Suh, K. Yasuoka and X. C. Zeng, RSC Adv., 2015, 5, 40953 DOI: 10.1039/C5RA04398K

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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